Chemical ID: 6509804

Cc1ccc(cc1)S(=O)(=O)NC(=O)c2nc[nH]n2
Chemical ID:
6509804
Name [?]:
N-(p-tolylsulfonyl)-1H-1,2,4-triazole-3-carboxamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)NC(=O)c2nc[nH]n2
InChi [?]:
InChI=1/C10H10N4O3S/c1-7-2-4-8(5-3-7)18(16,17)14-10(15)9-11-6-12-13-9/h2-6H,1H3,(H,14,15)(H,11,12,13)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,16,2,5,14,12,15,17,18,11,13,9,10,8/E:(2,3)(4,5)(16,17)/CRV:18.6/rA:18nCCCCCCCSOONCOCNCNN/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;d12;s12;s14;d15;s16;d14s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10N4O3S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.50052
Area:427.391
Solvation:-3.18424
Coulombic:-38.3197
Bond Count [?]
All:19
Single:11
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:266.278
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.15
LogP (Chemaxon):1.54

Name Annotations

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Descriptor Annotations

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